(2S)-3-(1H-isothiochromen-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-isothiochromen-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-(1H-isothiochromen-1-yl)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: (2S)-3-(1H-2-benzothiopyran-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-(1H-isothiochromen-1-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-(1H-isothiochromen-1-yl)-2-(tosylamino)propionic acid Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2C3=CC=CC=C3C=CS2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2C3=CC=CC=C3C=CS2)C(=O)O

InChI

InChI=1S/C19H19NO4S2/c1-13-6-8-15(9-7-13)26(23,24)20-17(19(21)22)12-18-16-5-3-2-4-14(16)10-11-25-18/h2-11,17-18,20H,12H2,1H3,(H,21,22)/t17-,18?/m0/s1